Geometry & MOs

Info

ID:	328637
PubChem CID:	126726169
Reduced:	F6N6H32C33 (1)
Stoich.:	A6B6C32D33 (1)
Weight, g/mol:	527.189215
ΔH_f, kcal/mol:	-192.8
Dipole, Da:	6.17
IP(EA), eV:	-8.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-cyano-1H-indol-2-yl)-6-(5-hexylthiophen-2-yl)-1,3,5-triazin-2-yl]-1H-indole-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(C)(C)C)C3=CC(=NC(=C3)C4=NNC(=C4)C(F)(F)F)C5=NNC(=C5)C(F)(F)F

DOS

IR

Vibrations